Phenethyl alcohol（CAS 60-12-8）：分子式 C8H10O、分子量 122.16。
| CAS号 | 60-12-8 |
|---|---|
| 分子式 | C8H10O |
| 分子量 | 122.16 |
| 熔点 | -27 |
| 沸点 | 218.2 |
| LogP | 1.4 |
| 应用领域 | Uses: CIR ingredient: Phenethyl Alcohol、Found in many natural essential oils、[Merck Index] Used as a flavoring agent in foods and beverages、as a fragrance in perfumes、cosmetics、detergents、synthetic rose oils、and soaps、and as an antibacterial and preservative、[HSDB] Present in food at <20 ppm and in perfumes at 2%、[REPROTOX]、Using Disinfectants or Biocides [Category: Clean]、Used in flavors and perfumery (esp rose perfumes)、FRAGRANCE IN COSMETICS AND DETERGENTS、FLAVORING AGENT IN FOODS & BEVERAGES、Organic synthesis、synthetic rose oil、soaps、antibacterial、preservative.、It is used in small quantities in perfumery and in larger amounts for the production of its esters、which are more important fragrance compounds.、For more Uses (Complete) data for 2-PHENYLETHANOL (7 total)、please visit the HSDB record page.、Use Classification: EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants、Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class、but has some hazard profile issues、Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Deodorant、Industry Uses: Fragrance、Fixing agent (mordant)、Not Known or Reasonably Ascertainable、Flavoring and nutrient、Other、Consumer Uses: Fragrance、Household Products: Information on 289 consumer products that contain Phenylethyl alcohol in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Home Maintenance、• Inside the Home、• Personal Care、• Pesticides、• Pet Care、Methods of Manufacturing: REACTION OF BENZENE、ETHYLENE OXIDE AND POWDERED ALUMINUM CHLORIDE、HYDROGENATION OF STYRENE OXIDE、BY REDUCTION OF ETHYL PHENYLACETATE WITH SODIUM IN ABSOLUTE ALCOHOL. BY HYDROGENATION OF PHENYLACETALDEHYDE IN PRESENCE OF NICKEL CATALYST.、Grignard synthesis: Chlorobenzene is converted to phenylmagnesium chloride which reacts with ethylene oxide at 100 °C to give beta-phenylethoxy magnesium chloride which is decomposed with sulfuric acid to give PEA.、Freidel-Craft process: Benzene is reacted with ethylene oxide over AlCl3.、Catalytic hydrogenation of styrene oxide.、Impurities: Common impurities are benzaldehyde、benzylacetone、1-phenyl-2-propanol、and phenylacetaldehyde.、Formulations、Preparations: GRADES: TECHNICAL、NF、FCC.、ASSAY 99% MIN.、Perfume-grade、Consumption Patterns: Approximately 85% of production is employed for fragrance use.、U.S. Production: 2023: 10、000、000 - <25、000 lb、2022: 10、2021: 25、000 - <40、2020: 25、(1975) 4.54X10+8 G (CONSUMPTION AS FRAGRANCE)、(1976) 1.23X10+6 G (MIN CONSUMPTION IN FOODS)、For 1990、estimated total world production was 7000 tons、of which approximately one-fourth was used in North America.、PEA and its esters、U.S. Imports: (1977) 9.92X10+7 GRAMS (PRINCPL CUSTMS DISTS)、(1979) 1.01X10+8 GRAMS (PRINCPL CUSTMS DISTS)、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing、All Other Chemical Product and Preparation Manufacturing、All Other Basic Organic Chemical Manufacturing、Food、beverage、and tobacco product manufacturing、Benzeneethanol: ACTIVE、The Bouveault-Blanc Reduction method of synthesis in which phenylacetic ester is reduced with sodium and alcohol and Leonard's Method in which toluene is chlorinated to benzyl chloride which is then converted to phenylacetic ester、and then to PEA are primarily of historic interest.、Most of the 2-phenylethanol presently being manufactured is produced by the essentially one-step Friedel-Craft process、although the Grignard synthesis and catalytic hydrogenation of styrene oxide are presently used.、The Friedel-Craft method has been exhaustively studied to optimize reaction conditions and purification procedures. Because of the high reactivity of the intermediates and the tendency toward polymer formation、critical factors ... must be carefully balanced to provide an economical product with acceptable odor properties.、Most of the commercial product is satisfactorily purified using continuous vacuum fractionation. For highest purity、purification via the borate ester is required. |
登记用途：Uses: CIR ingredient: Phenethyl Alcohol、Found in many natural essential oils、[Merck Index] Used as a flavoring agent in foods and beverages、as a fragrance in perfumes、cosmetics、detergents、synthetic rose oils、and soaps、and as an antibacterial and preservative、[HSDB] Present in food at <20 ppm and in perfumes at 2%、[REPROTOX]、Using Disinfectants or Biocides [Category: Clean]、Used in flavors and perfumery (esp rose perfumes)、FRAGRANCE IN COSMETICS AND DETERGENTS、FLAVORING AGENT IN FOODS & BEVERAGES、Organic synthesis、synthetic rose oil、soaps、antibacterial、preservative.、It is used in small quantities in perfumery and in larger amounts for the production of its esters、which are more important fragrance compounds.、For more Uses (Complete) data for 2-PHENYLETHANOL (7 total)、please visit the HSDB record page.、Use Classification: EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants、Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class、but has some hazard profile issues、Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Deodorant、Industry Uses: Fragrance、Fixing agent (mordant)、Not Known or Reasonably Ascertainable、Flavoring and nutrient、Other、Consumer Uses: Fragrance、Household Products: Information on 289 consumer products that contain Phenylethyl alcohol in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Home Maintenance、• Inside the Home、• Personal Care、• Pesticides、• Pet Care、Methods of Manufacturing: REACTION OF BENZENE、ETHYLENE OXIDE AND POWDERED ALUMINUM CHLORIDE、HYDROGENATION OF STYRENE OXIDE、BY REDUCTION OF ETHYL PHENYLACETATE WITH SODIUM IN ABSOLUTE ALCOHOL. BY HYDROGENATION OF PHENYLACETALDEHYDE IN PRESENCE OF NICKEL CATALYST.、Grignard synthesis: Chlorobenzene is converted to phenylmagnesium chloride which reacts with ethylene oxide at 100 °C to give beta-phenylethoxy magnesium chloride which is decomposed with sulfuric acid to give PEA.、Freidel-Craft process: Benzene is reacted with ethylene oxide over AlCl3.、Catalytic hydrogenation of styrene oxide.、Impurities: Common impurities are benzaldehyde、benzylacetone、1-phenyl-2-propanol、and phenylacetaldehyde.、Formulations、Preparations: GRADES: TECHNICAL、NF、FCC.、ASSAY 99% MIN.、Perfume-grade、Consumption Patterns: Approximately 85% of production is employed for fragrance use.、U.S. Production: 2023: 10、000、000 - <25、000 lb、2022: 10、2021: 25、000 - <40、2020: 25、(1975) 4.54X10+8 G (CONSUMPTION AS FRAGRANCE)、(1976) 1.23X10+6 G (MIN CONSUMPTION IN FOODS)、For 1990、estimated total world production was 7000 tons、of which approximately one-fourth was used in North America.、PEA and its esters、U.S. Imports: (1977) 9.92X10+7 GRAMS (PRINCPL CUSTMS DISTS)、(1979) 1.01X10+8 GRAMS (PRINCPL CUSTMS DISTS)、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing、All Other Chemical Product and Preparation Manufacturing、All Other Basic Organic Chemical Manufacturing、Food、beverage、and tobacco product manufacturing、Benzeneethanol: ACTIVE、The Bouveault-Blanc Reduction method of synthesis in which phenylacetic ester is reduced with sodium and alcohol and Leonard's Method in which toluene is chlorinated to benzyl chloride which is then converted to phenylacetic ester、and then to PEA are primarily of historic interest.、Most of the 2-phenylethanol presently being manufactured is produced by the essentially one-step Friedel-Craft process、although the Grignard synthesis and catalytic hydrogenation of styrene oxide are presently used.、The Friedel-Craft method has been exhaustively studied to optimize reaction conditions and purification procedures. Because of the high reactivity of the intermediates and the tendency toward polymer formation、critical factors ... must be carefully balanced to provide an economical product with acceptable odor properties.、Most of the commercial product is satisfactorily purified using continuous vacuum fractionation. For highest purity、purification via the borate ester is required.。
Phenethyl alcohol 是一种化工化合物，登记 CAS 号为 60-12-8，分子式 C8H10O（分子量 122.16）。
登记 CAS 号：60-12-8
其分子式 C8H10O 由 8 个碳、10 个氢、1 个氧 组成。
别名/同义词：Phenethyl alcohol · 2-Phenylethanol
Phenethyl alcohol 的 CAS 登记号为 60-12-8。
分子式 C8H10O，分子量 122.16。
别名/同义词：Phenethyl alcohol、2-Phenylethanol。
登记用途：Uses: CIR ingredient: Phenethyl Alcohol、Found in many natural essential oils、[Merck Index] Used as a flavoring agent in foods and beverages、as a fragrance in perfumes、cosmetics、detergents、synthetic rose oils、and soaps、and as an antibacterial and preservative、[HSDB] Present in food at <20 ppm and in perfumes at 2%、[REPROTOX]、Using Disinfectants or Biocides [Category: Clean]、Used in flavors and perfumery (esp rose perfumes)、FRAGRANCE IN COSMETICS AND DETERGENTS、FLAVORING AGENT IN FOODS & BEVERAGES、Organic synthesis、synthetic rose oil、soaps、antibacterial、preservative.、It is used in small quantities in perfumery and in larger amounts for the production of its esters、which are more important fragrance compounds.、For more Uses (Complete) data for 2-PHENYLETHANOL (7 total)、please visit the HSDB record page.、Use Classification: EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants、Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class、but has some hazard profile issues、Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Deodorant、Industry Uses: Fragrance、Fixing agent (mordant)、Not Known or Reasonably Ascertainable、Flavoring and nutrient、Other、Consumer Uses: Fragrance、Household Products: Information on 289 consumer products that contain Phenylethyl alcohol in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Home Maintenance、• Inside the Home、• Personal Care、• Pesticides、• Pet Care、Methods of Manufacturing: REACTION OF BENZENE、ETHYLENE OXIDE AND POWDERED ALUMINUM CHLORIDE、HYDROGENATION OF STYRENE OXIDE、BY REDUCTION OF ETHYL PHENYLACETATE WITH SODIUM IN ABSOLUTE ALCOHOL. BY HYDROGENATION OF PHENYLACETALDEHYDE IN PRESENCE OF NICKEL CATALYST.、Grignard synthesis: Chlorobenzene is converted to phenylmagnesium chloride which reacts with ethylene oxide at 100 °C to give beta-phenylethoxy magnesium chloride which is decomposed with sulfuric acid to give PEA.、Freidel-Craft process: Benzene is reacted with ethylene oxide over AlCl3.、Catalytic hydrogenation of styrene oxide.、Impurities: Common impurities are benzaldehyde、benzylacetone、1-phenyl-2-propanol、and phenylacetaldehyde.、Formulations、Preparations: GRADES: TECHNICAL、NF、FCC.、ASSAY 99% MIN.、Perfume-grade、Consumption Patterns: Approximately 85% of production is employed for fragrance use.、U.S. Production: 2023: 10、000、000 - <25、000 lb、2022: 10、2021: 25、000 - <40、2020: 25、(1975) 4.54X10+8 G (CONSUMPTION AS FRAGRANCE)、(1976) 1.23X10+6 G (MIN CONSUMPTION IN FOODS)、For 1990、estimated total world production was 7000 tons、of which approximately one-fourth was used in North America.、PEA and its esters、U.S. Imports: (1977) 9.92X10+7 GRAMS (PRINCPL CUSTMS DISTS)、(1979) 1.01X10+8 GRAMS (PRINCPL CUSTMS DISTS)、General Manufacturing Information: Soap、Cleaning Compound、and Toilet Preparation Manufacturing、All Other Chemical Product and Preparation Manufacturing、All Other Basic Organic Chemical Manufacturing、Food、beverage、and tobacco product manufacturing、Benzeneethanol: ACTIVE、The Bouveault-Blanc Reduction method of synthesis in which phenylacetic ester is reduced with sodium and alcohol and Leonard's Method in which toluene is chlorinated to benzyl chloride which is then converted to phenylacetic ester、and then to PEA are primarily of historic interest.、Most of the 2-phenylethanol presently being manufactured is produced by the essentially one-step Friedel-Craft process、although the Grignard synthesis and catalytic hydrogenation of styrene oxide are presently used.、The Friedel-Craft method has been exhaustively studied to optimize reaction conditions and purification procedures. Because of the high reactivity of the intermediates and the tendency toward polymer formation、critical factors ... must be carefully balanced to provide an economical product with acceptable odor properties.、Most of the commercial product is satisfactorily purified using continuous vacuum fractionation. For highest purity、purification via the borate ester is required.。
Phenethyl alcohol（CAS 60-12-8）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 60-12-8 |
|---|---|
| PubChem CID | 6054 |
| 分子式 | C8H10O |
| 分子量 | 122.07 g/mol |
| IUPAC 名称 | 2-phenylethanol |
| InChIKey | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
| UNII（FDA） | ML9LGA7468 |
| ChEBI 编号 | CHEBI:49000 |
| FEMA 编号 | 2858 |
| JECFA 编号 | 987 |
| Molecular Weight | 122.16 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 122.073164938 |
| Monoisotopic Mass | 122.073164938 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 9 |
| Boiling Point | 218.2 |
|---|---|
| Boiling Point | 218.2 °C AT 760 MM HG |
| Boiling Point | 219.00 to 221.00 °C. @ 760.00 mm Hg |
| Boiling Point | 219 °C |
| Boiling Point | 219-221 °C |
| Melting Point | -27 |
| Melting Point | -27 °C |
| Melting Point | -25.8 °C |
| Flash Point | 102 °C |
| Flash Point | 205 °F (96 °C) (Closed cup) |
2-PHENYLETHANOL; Phenethyl alcohol; 60-12-8; Phenylethyl alcohol; Benzeneethanol; Phenylethanol; Phenethanol; 2-Phenylethyl alcohol; beta-Phenylethanol; Benzylcarbinol; beta-Phenylethyl alcohol; 2-PEA; 2-Hydroxyethylbenzene; Ethanol, 2-phenyl-; FEMA No. 2858; beta-PEA
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit, Honey, Lilac, Rose, Wine 1-PHENYL-2-ETHANOL |
|---|---|
| GHS 通报统计 | 0.1% (2 / 2688) |
| GHS 通报统计 | 0.1% (2 / 2688) |
|---|---|
| 已通报的危害声明 | H302 (81.5%), H319 (94.5%), H311, H336, H361, H371, H318 |
苯乙醇；β-苯乙醇 的 CAS 号为 60-12-8，分子式 C8H10O，分子量 122.07 g/mol。 UNII ML9LGA7468; ChEBI 49000; InChIKey WRMNZCZEMHIOCP-UHFFFAOYSA-N. Boiling Point: 218.2; Boiling Point: 218.2 °C AT 760 MM HG; Boiling Point: 219.00 to 221.00 °C. @ 760.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Phenethyl alcohol